ethyl 2-(15-bromanyl-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-2-cyano-ethanoate

Systemtic Name: ethyl 2-(15-bromanyl-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-2-cyano-ethanoate Openeye Name: ethyl 2-(15-bromo-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-2-cyano-acetate CAS Name: 2-(15-bromo-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-(15-bromo-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-2-cyanoacetate Traditional Name: 2-(15-bromo-10,20-diphenyl-23,24-dihydroporphin-5-yl)-2-cyano-acetic acid ethyl ester Formula: C37H26BrN5O2 MolecularWeight: 652.53864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C6=CC=CC=C6)Br)N3)C7=CC=CC=C7

Isomeric SMILES

CCOC(=O)C(C#N)C1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C6=CC=CC=C6)Br)N3)C7=CC=CC=C7

InChI

InChI=1S/C37H26BrN5O2/c1-2-45-37(44)24(21-39)35-29-15-13-25(40-29)33(22-9-5-3-6-10-22)27-17-19-31(42-27)36(38)32-20-18-28(43-32)34(23-11-7-4-8-12-23)26-14-16-30(35)41-26/h3-20,24,42-43H,2H2,1H3